3-[(2-ethoxyphenyl)carbamoyl]-1-methyl-1-methylsulfonylurea

C12H17N3O5S — CID 3289054

IUPAC3-[(2-ethoxyphenyl)carbamoyl]-1-methyl-1-methylsulfonylurea
SMILESCCOc1ccccc1NC(=O)NC(=O)N(C)S(C)(=O)=O
InChIInChI=1S/C12H17N3O5S/c1-4-20-10-8-6-5-7-9(10)13-11(16)14-12(17)15(2)21(3,18)19/h5-8H,4H2,1-3H3,(H2,13,14,16,17)
InChIKeyYSIVKVFWONLLSN-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.22
Rot. Bonds4

About 3-[(2-ethoxyphenyl)carbamoyl]-1-methyl-1-methylsulfonylurea

3-[(2-ethoxyphenyl)carbamoyl]-1-methyl-1-methylsulfonylurea (PubChem CID 3289054) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-[(2-ethoxyphenyl)carbamoyl]-1-methyl-1-methylsulfonylurea.

Molecular Properties

Compound Name3-[(2-ethoxyphenyl)carbamoyl]-1-methyl-1-methylsulfonylurea
PubChem CID3289054
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name3-[(2-ethoxyphenyl)carbamoyl]-1-methyl-1-methylsulfonylurea
SMILESCCOc1ccccc1NC(=O)NC(=O)N(C)S(C)(=O)=O
InChIInChI=1S/C12H17N3O5S/c1-4-20-10-8-6-5-7-9(10)13-11(16)14-12(17)15(2)21(3,18)19/h5-8H,4H2,1-3H3,(H2,13,14,16,17)
InChIKeyYSIVKVFWONLLSN-UHFFFAOYSA-N
XLogP1.22
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2-Ethoxyphenyl)carbamoylamino]phenyl] sulfamate
CID 70696644
2-Ureidoanisole
CID 98753
1-(2-Methoxyphenyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea
CID 3152356
[4-[(2-Phenoxyphenyl)carbamoylamino]phenyl] sulfamate
CID 70696642
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-(2-methoxyphenyl)urea
CID 3152350
N-(2-Ethoxyphenyl)thiourea
CID 2758773
1-Cyclohexyl-3-(2-methoxyphenyl)urea
CID 307293
Methanesulfonic acid, 1-[(2-methoxyphenyl)amino]-, sodium salt (1:1)
CID 23668638
N-(2-ethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7161160
3-(2-Methoxyphenyl)-1-(4-sulfamoylphenyl)urea
CID 307522
N-(2-methoxyphenyl)morpholine-4-carboxamide
CID 759969
1-Cyclohexyl-3-(2-ethoxyphenyl)thiourea
CID 797148

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyphenyl)carbamoyl]-1-methyl-1-methylsulfonylurea?
The IUPAC name of 3-[(2-ethoxyphenyl)carbamoyl]-1-methyl-1-methylsulfonylurea (CID 3289054) is 3-[(2-ethoxyphenyl)carbamoyl]-1-methyl-1-methylsulfonylurea.
What is the SMILES notation for 3-[(2-ethoxyphenyl)carbamoyl]-1-methyl-1-methylsulfonylurea?
The canonical SMILES for 3-[(2-ethoxyphenyl)carbamoyl]-1-methyl-1-methylsulfonylurea is CCOc1ccccc1NC(=O)NC(=O)N(C)S(C)(=O)=O.
What is the InChIKey of 3-[(2-ethoxyphenyl)carbamoyl]-1-methyl-1-methylsulfonylurea?
The InChIKey is YSIVKVFWONLLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-4-20-10-8-6-5-7-9(10)13-11(16)14-12(17)15(2)21(3,18)19/h5-8H,4H2,1-3H3,(H2,13,14,16,17).
What are the key properties of 3-[(2-ethoxyphenyl)carbamoyl]-1-methyl-1-methylsulfonylurea?
3-[(2-ethoxyphenyl)carbamoyl]-1-methyl-1-methylsulfonylurea has a molecular weight of 315.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyphenyl)carbamoyl]-1-methyl-1-methylsulfonylurea is sourced from PubChem (CID 3289054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).